COMPUTED DESCRIPTORS
| Molecular Weight | 1101.2 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 15 |
| Exact Mass | 1100.54033892 g/mol |
| Monoisotopic Mass | 1100.54033892 g/mol |
| Topological Polar Surface Area | 368 Ų |
| Heavy Atom Count | 77 |
| Formal Charge | 0 |
| Complexity | 2240 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 26 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Escin IIb is a natural product found in Aesculus hippocastanum with data available.